SCHEMBL720382

SCHEMBL720382

COc1c(C(=O)Nc2c(Cl)cncc2Cl)ccc(O)c1C1CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.62
PDE4B Q07343 18/20 0.56
PDE4A P27815 7/20 0.54
PDE4C Q08493 7/20 0.54
GFER P55789 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4126031 0.83 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL7474591 0.73 PDE4D (0.60) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL27868670 0.73 TDP1 (0.46)
SCHEMBL7425565 0.72 PDE4D (0.59) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL13425085 0.72 PDE4B (1.00) PDE4DPDE4BPDE4APDE4C
SCHEMBL7419355 0.72 PDE4D (0.55) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL1553041 0.70 PDE4D (0.85) PDE4DPDE4BPDE4APDE4C
SCHEMBL2518442 0.70 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL5794099 0.70 PDE4D (0.65) PDE4DPDE4BPDE4APDE4C
SCHEMBL1202997 0.70 PDE4D (0.44) PDE4DPDE4BPDE4APDE4C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120052122-A1 Treatment Of Chronic Obstructive Pulmonary Disease With Phosphodiesterase-4 Inhibitor NYCOMED GMBH (DE) 2012-03-01 US disclosed
US-20090171096-A1 Novel process for the preparation of roflumilast NYCOMED GMBH (DE) 2009-07-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120052122-A1 Treatment Of Chronic Obstructive Pulmonary Disease With Phosphodiesterase-4 Inhibitor PDE4A, PDE3B, PDE4B PDE4D 7/4885PDE4B 3/4885PDE4A 1/4885
US-20090171096-A1 Novel process for the preparation of roflumilast PLAT, VASP, F2R PDE4D 27/4885PDE4B 22/4885PDE4A 18/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.